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BDBM46244 3-[[(E)-3-[4-(4-chlorobenzyl)oxyphenyl]-2-cyano-acryloyl]amino]benzoic acid::3-[[(E)-3-[4-[(4-chlorophenyl)methoxy]phenyl]-2-cyano-1-oxoprop-2-enyl]amino]benzoic acid::3-[[(E)-3-[4-[(4-chlorophenyl)methoxy]phenyl]-2-cyano-prop-2-enoyl]amino]benzoic acid::3-[[(E)-3-[4-[(4-chlorophenyl)methoxy]phenyl]-2-cyanoprop-2-enoyl]amino]benzoic acid::MLS-0334991.0001::cid_1516220

SMILES: OC(=O)c1cccc(NC(=O)C(=C\c2ccc(OCc3ccc(Cl)cc3)cc2)\C#N)c1

InChI Key: InChIKey=QXRVNDCFCHMEAR-XDHOZWIPSA-N

Data: 16 IC50  3 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 19 hits for monomerid = 46244   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Hematopoietic protein-tyrosine phosphatase (HEPTP)


(Homo sapiens (Human))
BDBM46244
PNG
(3-[[(E)-3-[4-(4-chlorobenzyl)oxyphenyl]-2-cyano-ac...)
Show SMILES OC(=O)c1cccc(NC(=O)C(=C\c2ccc(OCc3ccc(Cl)cc3)cc2)\C#N)c1
Show InChI InChI=1S/C24H17ClN2O4/c25-20-8-4-17(5-9-20)15-31-22-10-6-16(7-11-22)12-19(14-26)23(28)27-21-3-1-2-18(13-21)24(29)30/h1-13H,15H2,(H,27,28)(H,29,30)/b19-12+
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n/an/a 7.08E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2474894
More data for this
Ligand-Target Pair
Apoptotic peptidase activating factor 1


(Homo sapiens (Human))
BDBM46244
PNG
(3-[[(E)-3-[4-(4-chlorobenzyl)oxyphenyl]-2-cyano-ac...)
Show SMILES OC(=O)c1cccc(NC(=O)C(=C\c2ccc(OCc3ccc(Cl)cc3)cc2)\C#N)c1
Show InChI InChI=1S/C24H17ClN2O4/c25-20-8-4-17(5-9-20)15-31-22-10-6-16(7-11-22)12-19(14-26)23(28)27-21-3-1-2-18(13-21)24(29)30/h1-13H,15H2,(H,27,28)(H,29,30)/b19-12+
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n/an/an/an/a 2.08E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...


PubChem Bioassay (2011)


Article DOI: 10.1021/acs.biochem.5b00698
BindingDB Entry DOI: 10.7270/Q29C6VXX
More data for this
Ligand-Target Pair
Hematopoietic protein-tyrosine phosphatase (HEPTP)


(Homo sapiens (Human))
BDBM46244
PNG
(3-[[(E)-3-[4-(4-chlorobenzyl)oxyphenyl]-2-cyano-ac...)
Show SMILES OC(=O)c1cccc(NC(=O)C(=C\c2ccc(OCc3ccc(Cl)cc3)cc2)\C#N)c1
Show InChI InChI=1S/C24H17ClN2O4/c25-20-8-4-17(5-9-20)15-31-22-10-6-16(7-11-22)12-19(14-26)23(28)27-21-3-1-2-18(13-21)24(29)30/h1-13H,15H2,(H,27,28)(H,29,30)/b19-12+
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n/an/a 7.88E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2GQ6W6X
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM46244
PNG
(3-[[(E)-3-[4-(4-chlorobenzyl)oxyphenyl]-2-cyano-ac...)
Show SMILES OC(=O)c1cccc(NC(=O)C(=C\c2ccc(OCc3ccc(Cl)cc3)cc2)\C#N)c1
Show InChI InChI=1S/C24H17ClN2O4/c25-20-8-4-17(5-9-20)15-31-22-10-6-16(7-11-22)12-19(14-26)23(28)27-21-3-1-2-18(13-21)24(29)30/h1-13H,15H2,(H,27,28)(H,29,30)/b19-12+
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n/an/a 4.96E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2BZ64GK
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM46244
PNG
(3-[[(E)-3-[4-(4-chlorobenzyl)oxyphenyl]-2-cyano-ac...)
Show SMILES OC(=O)c1cccc(NC(=O)C(=C\c2ccc(OCc3ccc(Cl)cc3)cc2)\C#N)c1
Show InChI InChI=1S/C24H17ClN2O4/c25-20-8-4-17(5-9-20)15-31-22-10-6-16(7-11-22)12-19(14-26)23(28)27-21-3-1-2-18(13-21)24(29)30/h1-13H,15H2,(H,27,28)(H,29,30)/b19-12+
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n/an/a 3.42E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

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Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2ZP44JJ
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM46244
PNG
(3-[[(E)-3-[4-(4-chlorobenzyl)oxyphenyl]-2-cyano-ac...)
Show SMILES OC(=O)c1cccc(NC(=O)C(=C\c2ccc(OCc3ccc(Cl)cc3)cc2)\C#N)c1
Show InChI InChI=1S/C24H17ClN2O4/c25-20-8-4-17(5-9-20)15-31-22-10-6-16(7-11-22)12-19(14-26)23(28)27-21-3-1-2-18(13-21)24(29)30/h1-13H,15H2,(H,27,28)(H,29,30)/b19-12+
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n/an/a 8.62E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2VM49Q7
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM46244
PNG
(3-[[(E)-3-[4-(4-chlorobenzyl)oxyphenyl]-2-cyano-ac...)
Show SMILES OC(=O)c1cccc(NC(=O)C(=C\c2ccc(OCc3ccc(Cl)cc3)cc2)\C#N)c1
Show InChI InChI=1S/C24H17ClN2O4/c25-20-8-4-17(5-9-20)15-31-22-10-6-16(7-11-22)12-19(14-26)23(28)27-21-3-1-2-18(13-21)24(29)30/h1-13H,15H2,(H,27,28)(H,29,30)/b19-12+
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n/an/a 6.54E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, CA...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2B56H6M
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM46244
PNG
(3-[[(E)-3-[4-(4-chlorobenzyl)oxyphenyl]-2-cyano-ac...)
Show SMILES OC(=O)c1cccc(NC(=O)C(=C\c2ccc(OCc3ccc(Cl)cc3)cc2)\C#N)c1
Show InChI InChI=1S/C24H17ClN2O4/c25-20-8-4-17(5-9-20)15-31-22-10-6-16(7-11-22)12-19(14-26)23(28)27-21-3-1-2-18(13-21)24(29)30/h1-13H,15H2,(H,27,28)(H,29,30)/b19-12+
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n/an/a 3.77E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

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Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26H4FVR
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM46244
PNG
(3-[[(E)-3-[4-(4-chlorobenzyl)oxyphenyl]-2-cyano-ac...)
Show SMILES OC(=O)c1cccc(NC(=O)C(=C\c2ccc(OCc3ccc(Cl)cc3)cc2)\C#N)c1
Show InChI InChI=1S/C24H17ClN2O4/c25-20-8-4-17(5-9-20)15-31-22-10-6-16(7-11-22)12-19(14-26)23(28)27-21-3-1-2-18(13-21)24(29)30/h1-13H,15H2,(H,27,28)(H,29,30)/b19-12+
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n/an/a 6.86E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, ...


PubChem Bioassay (2010)


Article DOI: 10.1038/nchembio.1629
BindingDB Entry DOI: 10.7270/Q24748BK
More data for this
Ligand-Target Pair
envelope glycoprotein


(Human immunodeficiency virus 1)
BDBM46244
PNG
(3-[[(E)-3-[4-(4-chlorobenzyl)oxyphenyl]-2-cyano-ac...)
Show SMILES OC(=O)c1cccc(NC(=O)C(=C\c2ccc(OCc3ccc(Cl)cc3)cc2)\C#N)c1
Show InChI InChI=1S/C24H17ClN2O4/c25-20-8-4-17(5-9-20)15-31-22-10-6-16(7-11-22)12-19(14-26)23(28)27-21-3-1-2-18(13-21)24(29)30/h1-13H,15H2,(H,27,28)(H,29,30)/b19-12+
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n/an/a>1.00E+5n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Burnham Center for Chemical Genomics (BCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Networ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q20G3HMV
More data for this
Ligand-Target Pair
Hsf1 protein


(Mus musculus)
BDBM46244
PNG
(3-[[(E)-3-[4-(4-chlorobenzyl)oxyphenyl]-2-cyano-ac...)
Show SMILES OC(=O)c1cccc(NC(=O)C(=C\c2ccc(OCc3ccc(Cl)cc3)cc2)\C#N)c1
Show InChI InChI=1S/C24H17ClN2O4/c25-20-8-4-17(5-9-20)15-31-22-10-6-16(7-11-22)12-19(14-26)23(28)27-21-3-1-2-18(13-21)24(29)30/h1-13H,15H2,(H,27,28)(H,29,30)/b19-12+
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n/an/an/an/a 1.09E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Confirmation testing of small molecules identifie...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2P55KXK
More data for this
Ligand-Target Pair
Hematopoietic protein-tyrosine phosphatase (HEPTP)


(Homo sapiens (Human))
BDBM46244
PNG
(3-[[(E)-3-[4-(4-chlorobenzyl)oxyphenyl]-2-cyano-ac...)
Show SMILES OC(=O)c1cccc(NC(=O)C(=C\c2ccc(OCc3ccc(Cl)cc3)cc2)\C#N)c1
Show InChI InChI=1S/C24H17ClN2O4/c25-20-8-4-17(5-9-20)15-31-22-10-6-16(7-11-22)12-19(14-26)23(28)27-21-3-1-2-18(13-21)24(29)30/h1-13H,15H2,(H,27,28)(H,29,30)/b19-12+
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n/an/a 1.46E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2VQ314Z
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM46244
PNG
(3-[[(E)-3-[4-(4-chlorobenzyl)oxyphenyl]-2-cyano-ac...)
Show SMILES OC(=O)c1cccc(NC(=O)C(=C\c2ccc(OCc3ccc(Cl)cc3)cc2)\C#N)c1
Show InChI InChI=1S/C24H17ClN2O4/c25-20-8-4-17(5-9-20)15-31-22-10-6-16(7-11-22)12-19(14-26)23(28)27-21-3-1-2-18(13-21)24(29)30/h1-13H,15H2,(H,27,28)(H,29,30)/b19-12+
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n/an/a 4.74E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2QZ28FP
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM46244
PNG
(3-[[(E)-3-[4-(4-chlorobenzyl)oxyphenyl]-2-cyano-ac...)
Show SMILES OC(=O)c1cccc(NC(=O)C(=C\c2ccc(OCc3ccc(Cl)cc3)cc2)\C#N)c1
Show InChI InChI=1S/C24H17ClN2O4/c25-20-8-4-17(5-9-20)15-31-22-10-6-16(7-11-22)12-19(14-26)23(28)27-21-3-1-2-18(13-21)24(29)30/h1-13H,15H2,(H,27,28)(H,29,30)/b19-12+
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n/an/a 6.36E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, CA...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2M9073J
More data for this
Ligand-Target Pair
Hematopoietic protein-tyrosine phosphatase (HEPTP)


(Homo sapiens (Human))
BDBM46244
PNG
(3-[[(E)-3-[4-(4-chlorobenzyl)oxyphenyl]-2-cyano-ac...)
Show SMILES OC(=O)c1cccc(NC(=O)C(=C\c2ccc(OCc3ccc(Cl)cc3)cc2)\C#N)c1
Show InChI InChI=1S/C24H17ClN2O4/c25-20-8-4-17(5-9-20)15-31-22-10-6-16(7-11-22)12-19(14-26)23(28)27-21-3-1-2-18(13-21)24(29)30/h1-13H,15H2,(H,27,28)(H,29,30)/b19-12+
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2BR8QNJ
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM46244
PNG
(3-[[(E)-3-[4-(4-chlorobenzyl)oxyphenyl]-2-cyano-ac...)
Show SMILES OC(=O)c1cccc(NC(=O)C(=C\c2ccc(OCc3ccc(Cl)cc3)cc2)\C#N)c1
Show InChI InChI=1S/C24H17ClN2O4/c25-20-8-4-17(5-9-20)15-31-22-10-6-16(7-11-22)12-19(14-26)23(28)27-21-3-1-2-18(13-21)24(29)30/h1-13H,15H2,(H,27,28)(H,29,30)/b19-12+
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n/an/a 6.42E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2CR5RTC
More data for this
Ligand-Target Pair
tyrosine-protein phosphatase non-receptor type 12 isoform 2


(Homo sapiens (Human))
BDBM46244
PNG
(3-[[(E)-3-[4-(4-chlorobenzyl)oxyphenyl]-2-cyano-ac...)
Show SMILES OC(=O)c1cccc(NC(=O)C(=C\c2ccc(OCc3ccc(Cl)cc3)cc2)\C#N)c1
Show InChI InChI=1S/C24H17ClN2O4/c25-20-8-4-17(5-9-20)15-31-22-10-6-16(7-11-22)12-19(14-26)23(28)27-21-3-1-2-18(13-21)24(29)30/h1-13H,15H2,(H,27,28)(H,29,30)/b19-12+
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n/an/a 2.91E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q28G8J5T
More data for this
Ligand-Target Pair
Apoptotic peptidase activating factor 1


(Homo sapiens (Human))
BDBM46244
PNG
(3-[[(E)-3-[4-(4-chlorobenzyl)oxyphenyl]-2-cyano-ac...)
Show SMILES OC(=O)c1cccc(NC(=O)C(=C\c2ccc(OCc3ccc(Cl)cc3)cc2)\C#N)c1
Show InChI InChI=1S/C24H17ClN2O4/c25-20-8-4-17(5-9-20)15-31-22-10-6-16(7-11-22)12-19(14-26)23(28)27-21-3-1-2-18(13-21)24(29)30/h1-13H,15H2,(H,27,28)(H,29,30)/b19-12+
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n/an/an/an/a>1.00E+5n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...


PubChem Bioassay (2011)


Article DOI: 10.1111/cbdd.12375
BindingDB Entry DOI: 10.7270/Q2SB447H
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM46244
PNG
(3-[[(E)-3-[4-(4-chlorobenzyl)oxyphenyl]-2-cyano-ac...)
Show SMILES OC(=O)c1cccc(NC(=O)C(=C\c2ccc(OCc3ccc(Cl)cc3)cc2)\C#N)c1
Show InChI InChI=1S/C24H17ClN2O4/c25-20-8-4-17(5-9-20)15-31-22-10-6-16(7-11-22)12-19(14-26)23(28)27-21-3-1-2-18(13-21)24(29)30/h1-13H,15H2,(H,27,28)(H,29,30)/b19-12+
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UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem
PCBioAssay
n/an/a 8.28E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2VX0DZ6
More data for this
Ligand-Target Pair